Monomers

2-Propenyl trimethylacetate

Identifiers

IUPAC name
prop-2-enyl 2,2-dimethylpropanoate
InchI
InChI=1S/C8H14O2/c1-5-6-10-7(9)8(2,3)4/h5H,1,6H2,2-4H3
InchI Key
GVVKBARIYRBZHC-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(C)(C)C
Canonical SMILES
CC(C)(C)C(=O)OCC=C
Isomeric SMILES
CC(C)(C)C(=O)OCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 24 23  0  0  0  0  0  0  0  0999 V2000
    3.9146    0.0650    0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7835   -0.5285   -0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9936   -0.1008   -1.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7190    0.2818   -0.8498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1554   -0.5316   -0.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1677   -1.7165    0.0457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4683    0.0456    0.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3249   -0.9595    0.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1955    0.4852   -1.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1581    1.2191    1.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3342    0.9039   -0.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4751   -0.2604    1.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339   -1.3551    0.4826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9532   -0.9290   -2.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5119    0.7795   -1.7419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9593   -1.1078    1.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4203   -1.8901    0.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3428   -0.5223    1.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1175    1.0482   -0.7934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5166    1.0278   -1.7085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5143   -0.4523   -1.5423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0279    1.5973    1.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6723    2.0226    0.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138    0.8780    1.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers